3-[(2E)-3,7-dimethylocta-2,6-dienoxy]prop-1-en-2-ylbenzene

C19H26O — CID 102207934

IUPAC3-[(2E)-3,7-dimethylocta-2,6-dienoxy]prop-1-en-2-ylbenzene
SMILESC=C(COC/C=C(\C)CCC=C(C)C)c1ccccc1
InChIInChI=1S/C19H26O/c1-16(2)9-8-10-17(3)13-14-20-15-18(4)19-11-6-5-7-12-19/h5-7,9,11-13H,4,8,10,14-15H2,1-3H3/b17-13+
InChIKeyBNNLXUVTYGXHAQ-GHRIWEEISA-N
MW270.42 g/mol
LogP5.41
Rot. Bonds8

About 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]prop-1-en-2-ylbenzene

3-[(2E)-3,7-dimethylocta-2,6-dienoxy]prop-1-en-2-ylbenzene (PubChem CID 102207934) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name3-[(2E)-3,7-dimethylocta-2,6-dienoxy]prop-1-en-2-ylbenzene
PubChem CID102207934
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name3-[(2E)-3,7-dimethylocta-2,6-dienoxy]prop-1-en-2-ylbenzene
SMILESC=C(COC/C=C(\C)CCC=C(C)C)c1ccccc1
InChIInChI=1S/C19H26O/c1-16(2)9-8-10-17(3)13-14-20-15-18(4)19-11-6-5-7-12-19/h5-7,9,11-13H,4,8,10,14-15H2,1-3H3/b17-13+
InChIKeyBNNLXUVTYGXHAQ-GHRIWEEISA-N
XLogP5.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,7-dimethylocta-2,6-dienyl 2-oxo-2-phenylacetate
CID 140658272
bis((2E)-3,7-dimethylocta-2,6-dienal);2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-(4-methylphenyl)ethanone;2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-phenylethanone;bis(1-(4-methylphenyl)ethanone)
CID 162266258
2-[(2E)-3,7-dimethylocta-2,6-dienoxy]acetic acid
CID 12648855
CID 154634937
CID 154634937
3,7,11-trimethyldodeca-2,6,10-trienoxymethanol
CID 173478394
2-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phenazine
CID 129320347
(2E,6E,10E)-2,6,10-trimethyl-12-phenylmethoxydodeca-2,6,10-trien-1-ol
CID 11163277
1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene
CID 3018010
azane;[(2Z,6E)-7,11-dimethyl-3-phenyldodeca-2,6,10-trienyl] phosphono hydrogen phosphate
CID 23643215
[(2E,6Z,10E,14Z)-16-benzoyloxy-7-(benzoyloxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenyl] benzoate
CID 70558302
[(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-3-phenylprop-2-enoate
CID 22035471
[(2E)-3,7-dimethyl-1-phenoxyocta-2,6-dienoxy]benzene
CID 70357331

Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]prop-1-en-2-ylbenzene?
The IUPAC name of 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]prop-1-en-2-ylbenzene (CID 102207934) is 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]prop-1-en-2-ylbenzene.
What is the SMILES notation for 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]prop-1-en-2-ylbenzene?
The canonical SMILES for 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]prop-1-en-2-ylbenzene is C=C(COC/C=C(\C)CCC=C(C)C)c1ccccc1.
What is the InChIKey of 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]prop-1-en-2-ylbenzene?
The InChIKey is BNNLXUVTYGXHAQ-GHRIWEEISA-N. The full InChI is InChI=1S/C19H26O/c1-16(2)9-8-10-17(3)13-14-20-15-18(4)19-11-6-5-7-12-19/h5-7,9,11-13H,4,8,10,14-15H2,1-3H3/b17-13+.
What are the key properties of 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]prop-1-en-2-ylbenzene?
3-[(2E)-3,7-dimethylocta-2,6-dienoxy]prop-1-en-2-ylbenzene has a molecular weight of 270.42 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]prop-1-en-2-ylbenzene is sourced from PubChem (CID 102207934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).